CID 18723215

4,4-dimethyl-1-(prop-2-yn-1-yl)piperidine

Structural Information

Molecular Formula

C₁₀H₁₇N

SMILES

CC1(CCN(CC1)CC#C)C

InChI

InChI=1S/C10H17N/c1-4-7-11-8-5-10(2,3)6-9-11/h1H,5-9H2,2-3H3

InChIKey

VTTSYCSMXOZFGP-UHFFFAOYSA-N

Compound name

4,4-dimethyl-1-prop-2-ynylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 151.1361 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	152.14338	134.5
[M+Na]+	174.12532	145.8
[M+NH4]+	169.16992	141.1
[M+K]+	190.09926	134.5
[M-H]-	150.12882	128.4
[M+Na-2H]-	172.11077	138.3
[M]+	151.13555	133.6
[M]-	151.13665	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe